Chemical Properties of Pentane, 3-chloro-2-methyl- (CAS 38384-05-3)

InChI

InChI=1S/C6H13Cl/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3

InChI Key

FCPXHGJZKRXGJY-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CCC(Cl)C(C)C

Molecular Weight¹

120.62

CAS

38384-05-3

Other Names

• 3-Chloro-2-methylpentane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2809		Relay (1.0) Calculated Property
ΔfG°	-17.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.45	kJ/mol	Joback Calculated Property
ΔvapH°	37.80	kJ/mol	Relay (1.0) Calculated Property
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.660		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[845.00; 862.00]
Inp	850.00		NIST
Inp	850.00		NIST
Inp	862.00		NIST
Inp	845.00		NIST
I	[944.00; 956.00]
I	952.00		NIST
I	956.00		NIST
I	944.00		NIST
Tboil	384.88	K	Relay (1.0) Calculated Property
Tc	578.25	K	Relay (1.0) Calculated Property
Tfus	188.81	K	Relay (1.0) Calculated Property
Vc	0.395	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.54; 338.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.96100e+00
Coefficient B			5.92460e-01
Coefficient C			-3.29400e-04
Coefficient D			6.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.54	J/mol×K	273.00	Calculated Property
Cp,gas	178.35	J/mol×K	353.78	Calculated Property
Cp,gas	207.81	J/mol×K	434.56	Calculated Property
Cp,gas	234.13	J/mol×K	515.33	Calculated Property
Cp,gas	257.53	J/mol×K	596.11	Calculated Property
Cp,gas	278.22	J/mol×K	676.89	Calculated Property
Cp,gas	296.42	J/mol×K	757.67	Calculated Property
Cp,gas	312.34	J/mol×K	838.44	Calculated Property
Cp,gas	326.20	J/mol×K	919.22	Calculated Property
Cp,gas	338.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0170744; 0.0002456]	Pa×s	[157.30; 387.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12053e+01
Coefficient B			1.12236e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			157.30
Temperature range, max.			387.88
η	0.0170744	Pa×s	157.30	Calculated Property
η	0.0062854	Pa×s	182.92	Calculated Property
η	0.0029577	Pa×s	208.54	Calculated Property
η	0.0016414	Pa×s	234.16	Calculated Property
η	0.0010231	Pa×s	259.78	Calculated Property
η	0.0006942	Pa×s	285.40	Calculated Property
η	0.0005021	Pa×s	311.02	Calculated Property
η	0.0003815	Pa×s	336.64	Calculated Property
η	0.0003014	Pa×s	362.26	Calculated Property
η	0.0002456	Pa×s	387.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[288.92; 424.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42268e+01
Coefficient B			-3.35127e+03
Coefficient C			-4.85000e+01
Temperature range, min.			288.92
Temperature range, max.			424.40
Pvap	1.33	kPa	288.92	Calculated Property
Pvap	3.03	kPa	303.97	Calculated Property
Pvap	6.29	kPa	319.03	Calculated Property
Pvap	12.08	kPa	334.08	Calculated Property
Pvap	21.75	kPa	349.13	Calculated Property
Pvap	37.00	kPa	364.19	Calculated Property
Pvap	59.99	kPa	379.24	Calculated Property
Pvap	93.25	kPa	394.29	Calculated Property
Pvap	139.71	kPa	409.35	Calculated Property
Pvap	202.65	kPa	424.40	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-chloro-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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